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Molecule
5-Chloro-2-Hydroxybenzamide
CAS: 7120-43-6 · C7H6ClNO2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 7120-43-6
- Molecular Formula
- C7H6ClNO2
- Molecular Mass
- 171.58 g/mol
Identifiers
CAS Registry Number
7120-43-6
SMILES
N=C(O)c1cc(Cl)ccc1O
InChI Key
NNHMQZBVJPQCAK-UHFFFAOYSA-N
InChI
InChI=1S/C7H6ClNO2/c8-4-1-2-6(10)5(3-4)7(9)11/h1-3,10H,(H2,9,11)
Names and Synonyms
- 5-Chloro-2-Hydroxybenzamide Synonym
- Benzamide, 5-chloro-2-hydroxy- Synonym
- Salicylamide, 5-chloro- Synonym
- 5-Chloro-2-hydroxybenzamide Synonym
- 5-Chlorosalicylamide Synonym
- 2-Hydroxy-5-chlorobenzamide Synonym
- NSC 407139 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 171.58 g/mol | CAS Common Chemistry |
| 171.583 g/mol | RDKit | |
| Canonical SMILES | O=C(N)C1=CC(Cl)=CC=C1O | CAS Common Chemistry |
| InChI | InChI=1S/C7H6ClNO2/c8-4-1-2-6(10)5(3-4)7(9)11/h1-3,10H,(H2,9,11) | CAS Common Chemistry |
| InChI Key | InChIKey=NNHMQZBVJPQCAK-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 5-Chloro-2-hydroxybenzamide | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 64.31 Ų | RDKit |
| LogP | 1.92897 | RDKit |
| 1.929 | RDKit | |
| Molar Refractivity | 42.57430000000001 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 171.008706112 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 171.58 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C7H6ClNO2.
